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5PZL
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CRYSTAL STRUCTURE OF THE HEPATITIS C VIRUS NS5B RNA-DEPENDENT RNA POLYMERASE IN COMPLEX WITH 2-({3-[1-(2-CYCLOPROPYLETHYL)-6-FLUORO-4-HYDROXY-2-OXO-1,2-DIHYDROQUINOLIN-3-YL]-1,1-DIOXO-1,4-DIHYDRO-1LAMBDA~6~,2,4-BENZOTHIADIAZIN-7-YL}OXY)ACETAMIDE
分子名称: (2E)-3-(4-{[(1-{[(13-cyclohexyl-6-oxo-6,7-dihydro-5H-indolo[1,2-d][1,4]benzodiazepin-10-yl)carbonyl]amino}cyclopentyl)carbonyl]amino}phenyl)prop-2-enoic acid, 2-({3-[1-(2-cyclopropylethyl)-6-fluoro-4-hydroxy-2-oxo-1,2-dihydroquinolin-3-yl]-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl}oxy)acetamide, RNA-directed RNA polymerase, ...
著者Sheriff, S.
登録日2017-02-27
公開日2017-05-10
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Discovery of a Hepatitis C Virus NS5B Replicase Palm Site Allosteric Inhibitor (BMS-929075) Advanced to Phase 1 Clinical Studies.
J. Med. Chem., 60, 2017
5PZK
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CRYSTAL STRUCTURE OF THE HEPATITIS C VIRUS NS5B RNA-DEPENDENT RNA POLYMERASE IN COMPLEX WITH 2-(4-FLUOROPHENYL)-N-METHYL-6-[(METHYLSULFONYL)AMINO]-5-(PROPAN-2-YLOXY)-1-BENZOFURAN-3-CARBOXAMIDE
分子名称: (2E)-3-(4-{[(1-{[(13-cyclohexyl-6-oxo-6,7-dihydro-5H-indolo[1,2-d][1,4]benzodiazepin-10-yl)carbonyl]amino}cyclopentyl)carbonyl]amino}phenyl)prop-2-enoic acid, 2-(4-fluorophenyl)-N-methyl-6-[(methylsulfonyl)amino]-5-(propan-2-yloxy)-1-benzofuran-3-carboxamide, GLYCEROL, ...
著者Sheriff, S.
登録日2017-02-27
公開日2017-05-10
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery of a Hepatitis C Virus NS5B Replicase Palm Site Allosteric Inhibitor (BMS-929075) Advanced to Phase 1 Clinical Studies.
J. Med. Chem., 60, 2017
5PZP
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CRYSTAL STRUCTURE OF THE HEPATITIS C VIRUS NS5B RNA-DEPENDENT RNA POLYMERASE IN COMPLEX WITH 4-FLUORO-2-(4-FLUOROPHENYL)-N-METHYL-5-(2-METHYL-5-{[1-(PYRIMIDIN-2-YL)CYCLOPROPYL]CARBAMOYL}PHENYL)-1-BENZOFURAN-3-CARBOXAMIDE (BMS-929075)
分子名称: (2E)-3-(4-{[(1-{[(13-cyclohexyl-6-oxo-6,7-dihydro-5H-indolo[1,2-d][1,4]benzodiazepin-10-yl)carbonyl]amino}cyclopentyl)carbonyl]amino}phenyl)prop-2-enoic acid, 4-fluoro-2-(4-fluorophenyl)-N-methyl-5-(2-methyl-5-{[1-(pyrimidin-2-yl)cyclopropyl]carbamoyl}phenyl)-1-benzofuran-3-carboxamide, GLYCEROL, ...
著者Sheriff, S.
登録日2017-02-27
公開日2017-05-10
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Discovery of a Hepatitis C Virus NS5B Replicase Palm Site Allosteric Inhibitor (BMS-929075) Advanced to Phase 1 Clinical Studies.
J. Med. Chem., 60, 2017
5PTD
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BU of 5ptd by Molmil
PHOSPHATIDYLINOSITOL-SPECIFIC PHOSPHOLIPASE C MUTANT H32A
分子名称: PHOSPHATIDYLINOSITOL-SPECIFIC PHOSPHOLIPASE C
著者Heinz, D.W.
登録日1997-07-18
公開日1998-01-21
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Probing the roles of active site residues in phosphatidylinositol-specific phospholipase C from Bacillus cereus by site-directed mutagenesis.
Biochemistry, 36, 1997
6LBN
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Structure of SIL1-bound FEM1C
分子名称: Protein fem-1 homolog C,Peptide from Nucleotide exchange factor SIL1
著者Chen, X, Liao, S, Xu, C.
登録日2019-11-14
公開日2020-10-21
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.899 Å)
主引用文献Molecular basis for arginine C-terminal degron recognition by Cul2 FEM1 E3 ligase.
Nat.Chem.Biol., 17, 2021
6LEN
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BU of 6len by Molmil
Structure of NS11 bound FEM1C
分子名称: Protein fem-1 homolog C,NS11 peptide
著者Chen, x, Liao, S, Xu, C.
登録日2019-11-25
公開日2020-10-21
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.383 Å)
主引用文献Molecular basis for arginine C-terminal degron recognition by Cul2 FEM1 E3 ligase.
Nat.Chem.Biol., 17, 2021
6LEY
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BU of 6ley by Molmil
Structure of Sil1G bound FEM1C
分子名称: Protein fem-1 homolog C,Peptide from Nucleotide exchange factor SIL1
著者Chen, X, Liao, S, Xu, C.
登録日2019-11-27
公開日2020-10-21
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Molecular basis for arginine C-terminal degron recognition by Cul2 FEM1 E3 ligase.
Nat.Chem.Biol., 17, 2021
6LF0
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Structure of FEM1C
分子名称: Protein fem-1 homolog C, SULFATE ION
著者Chen, X, Liao, S, Xu, C.
登録日2019-11-27
公開日2020-10-21
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Molecular basis for arginine C-terminal degron recognition by Cul2 FEM1 E3 ligase.
Nat.Chem.Biol., 17, 2021
9N9S
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Model of APC/C-CDC20-UBE2C from H3/H4-bound complex
分子名称: Anaphase-promoting complex subunit 1, Anaphase-promoting complex subunit 10, Anaphase-promoting complex subunit 11, ...
著者Skrajna, A, Bodrug, T, Brown, N.G, McGinty, R.K.
登録日2025-02-11
公開日2025-04-16
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献APC/C-mediated ubiquitylation of extranucleosomal histone complexes lacking canonical degrons.
Nat Commun, 16, 2025
9N9R
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BU of 9n9r by Molmil
Model of APC/C-CDC20-UBE2C from H2A/H2B-bound complex
分子名称: Anaphase-promoting complex subunit 1, Anaphase-promoting complex subunit 10, Anaphase-promoting complex subunit 11, ...
著者Skrajna, A, Bodrug, T, Brown, N.G, McGinty, R.K.
登録日2025-02-11
公開日2025-04-16
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献APC/C-mediated ubiquitylation of extranucleosomal histone complexes lacking canonical degrons.
Nat Commun, 16, 2025
6LDP
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BU of 6ldp by Molmil
Structure of CDK5R1-bound FEM1C
分子名称: Protein fem-1 homolog C,Peptide from Cyclin-dependent kinase 5 activator 1, SULFATE ION
著者Chen, X, Liao, S, Xu, C.
登録日2019-11-22
公開日2020-10-21
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Molecular basis for arginine C-terminal degron recognition by Cul2 FEM1 E3 ligase.
Nat.Chem.Biol., 17, 2021
7PTD
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BU of 7ptd by Molmil
PHOSPHATIDYLINOSITOL-SPECIFIC PHOSPHOLIPASE C MUTANT R163K
分子名称: PHOSPHATIDYLINOSITOL-SPECIFIC PHOSPHOLIPASE C
著者Heinz, D.W.
登録日1997-07-18
公開日1998-01-21
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Probing the roles of active site residues in phosphatidylinositol-specific phospholipase C from Bacillus cereus by site-directed mutagenesis.
Biochemistry, 36, 1997
7NZY
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BU of 7nzy by Molmil
Crystal structure of human Casein Kinase I delta in complex with CGS-15943
分子名称: 9-chloranyl-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine, Casein kinase I isoform delta, MALONATE ION, ...
著者Pichlo, C, Baumann, U.
登録日2021-03-24
公開日2022-10-05
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Phenotypic Discovery of Triazolo[1,5- c ]quinazolines as a First-In-Class Bone Morphogenetic Protein Amplifier Chemotype.
J.Med.Chem., 65, 2022
6ZJG
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BU of 6zjg by Molmil
Crystal structure of ACPA E4 in complex with CII-C-48-CIT
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACPA E4 Fab fragment - heavy chain, ACPA E4 Fab fragment - light chain, ...
著者Ge, C, Holmdahl, R.
登録日2020-06-29
公開日2021-07-07
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Crystal structure of ACPA E4 in complex with CII-C-48-CIT
To Be Published
8VJ1
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BU of 8vj1 by Molmil
Structure of C-terminal domain of telomere resolvase, ResT, from Borrelia garinii
分子名称: Telomere resolvase ResT
著者Semper, C, Savchenko, A, Watanabe, N, Center for Structural Biology of Infectious Diseases (CSBID)
登録日2024-01-05
公開日2024-07-17
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Structure analysis of the telomere resolvase from the Lyme disease spirochete Borrelia garinii reveals functional divergence of its C-terminal domain.
Nucleic Acids Res., 52, 2024
7ANQ
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BU of 7anq by Molmil
Complete PCSK9 C-ter domain in complex with VHH P1.40
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Proprotein convertase subtilisin/kexin type 9, SULFATE ION, ...
著者Ciccone, L, Legrand, P, Stura, E.A, Dive, V, Seidahn, N.G, Fruchart Gaillard, C.
登録日2020-10-12
公開日2021-10-20
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Molecular interactions of PCSK9 with an inhibitory nanobody, CAP1 and HLA-C: Functional regulation of LDLR levels.
Mol Metab, 67, 2022
8CK8
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STRUCTURE OF HIF2A-ARNT HETERODIMER IN COMPLEX WITH (S)-1-Cyclohexyloxy-5,5-difluoro-3-methanesulfonyl-5,6-dihydro-4H-cyclopenta[c]thiophen-4-ol
分子名称: (4~{S})-1-cyclohexyloxy-5,5-bis(fluoranyl)-3-methylsulfonyl-4,6-dihydrocyclopenta[c]thiophen-4-ol, Aryl hydrocarbon receptor nuclear translocator, Endothelial PAS domain-containing protein 1
著者Musil, D.
登録日2023-02-14
公開日2023-07-19
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.302 Å)
主引用文献Discovery of Cycloalkyl[ c ]thiophenes as Novel Scaffolds for Hypoxia-Inducible Factor-2 alpha Inhibitors.
J.Med.Chem., 66, 2023
8CK3
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BU of 8ck3 by Molmil
STRUCTURE OF HIF2A-ARNT HETERODIMER IN COMPLEX WITH (S)-1-(3,5-Difluoro-phenyl)-5,5-difluoro-3-methanesulfonyl-5,6-dihydro-4H-cyclopenta[c]thiophen-4-ol
分子名称: (4~{S})-1-[3,5-bis(fluoranyl)phenyl]-5,5-bis(fluoranyl)-3-methylsulfonyl-4,6-dihydrocyclopenta[c]thiophen-4-ol, Aryl hydrocarbon receptor nuclear translocator, DIMETHYL SULFOXIDE, ...
著者Musil, D, Lehmannn, M, Diehl, L.
登録日2023-02-14
公開日2023-07-19
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.707 Å)
主引用文献Discovery of Cycloalkyl[ c ]thiophenes as Novel Scaffolds for Hypoxia-Inducible Factor-2 alpha Inhibitors.
J.Med.Chem., 66, 2023
8F8N
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BU of 8f8n by Molmil
Crystal structure of the Arabidopsis SPIRAL2 C-terminal domain
分子名称: Microtubule-associated protein TORTIFOLIA1
著者Slep, K.C, Bolhuis, D.B, Dixit, R.
登録日2022-11-22
公開日2023-08-16
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.798 Å)
主引用文献Crystal structure of the Arabidopsis SPIRAL2 C-terminal domain reveals a p80-Katanin-like domain.
Plos One, 18, 2023
8DK6
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Structure of hepatitis C virus envelope N-terminal truncated glycoprotein 2 (E2) (residues 456-713) from J6 genotype
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2A12 Fab Heavy chain, 2A12 Fab light chain, ...
著者Kumar, A, Rohe, T, Elrod, E.J, Khan, A.G, Dearborn, A.D, Kissinger, R, Grakoui, A, Marcotrigiano, J.
登録日2022-07-03
公開日2023-03-29
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Regions of hepatitis C virus E2 required for membrane association.
Nat Commun, 14, 2023
6FM6
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Crystal structure of the class C beta-lactamase TRU-1 from Aeromonas enteropelogenes
分子名称: Beta-lactamase, SULFATE ION, TRIETHYLENE GLYCOL
著者Pozzi, C, De Luca, F, Di Pisa, F, Benvenuti, M, Docquier, J.D, Mangani, S.
登録日2018-01-30
公開日2018-05-30
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Atomic-Resolution Structure of a Class C beta-Lactamase and Its Complex with Avibactam.
ChemMedChem, 13, 2018
6FM7
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Crystal structure of the class C beta-lactamase TRU-1 from Aeromonas enteropelogenes in complex with avibactam
分子名称: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, 1,2-ETHANEDIOL, Beta-lactamase, ...
著者Pozzi, C, De Luca, F, Benvenuti, M, Di Pisa, F, Docquier, J.D, Mangani, S.
登録日2018-01-30
公開日2018-05-30
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.04 Å)
主引用文献Atomic-Resolution Structure of a Class C beta-Lactamase and Its Complex with Avibactam.
ChemMedChem, 13, 2018
6LUS
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Crystal structure of the Mengla Virus VP30 C-terminal domain
分子名称: Minor nucleoprotein VP30
著者Dong, S.S, Wen, K.N, Chu, H.G, Wang, C.H, Qin, X.C.
登録日2020-01-30
公開日2020-12-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Crystal structure of the Mengla virus VP30 C-terminal domain.
Biochem.Biophys.Res.Commun., 525, 2020
6GD7
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Cytochrome c in complex with Sulfonato-calix[8]arene, H3 form with PEG
分子名称: Cytochrome c iso-1, GLYCEROL, HEME C, ...
著者Rennie, M.L, Fox, G.C, Crowley, P.B.
登録日2018-04-23
公開日2018-08-29
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Auto-regulated Protein Assembly on a Supramolecular Scaffold.
Angew. Chem. Int. Ed. Engl., 57, 2018
8EDE
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BU of 8ede by Molmil
Crystal structure of covalent inhibitor 2-chloro-N'-(N-(4-chlorophenyl)-N-methylglycyl)acetohydrazide bound to Ubiquitin C-terminal Hydrolase-L1
分子名称: 2-[(4-chlorophenyl)-methyl-amino]-~{N}'-ethanoyl-ethanehydrazide, SULFATE ION, Ubiquitin carboxyl-terminal hydrolase isozyme L1
著者Patel, R, Imhoff, R, Flaherty, D, Das, C.
登録日2022-09-04
公開日2023-09-20
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.799 Å)
主引用文献Covalent Fragment Screening and Optimization Identifies the Chloroacetohydrazide Scaffold as Inhibitors for Ubiquitin C-terminal Hydrolase L1.
J.Med.Chem., 67, 2024

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件を2025-07-09に公開中

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